N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine

C18H23NO — CID 115794851

IUPACN-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-4-12-20-16-10-7-9-15(13-16)18(19-3)17-11-6-5-8-14(17)2/h5-11,13,18-19H,4,12H2,1-3H3
InChIKeyHNQHOLMNVLRIPN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds6

About N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine

N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine (PubChem CID 115794851) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
PubChem CID115794851
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-4-12-20-16-10-7-9-15(13-16)18(19-3)17-11-6-5-8-14(17)2/h5-11,13,18-19H,4,12H2,1-3H3
InChIKeyHNQHOLMNVLRIPN-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-methylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105286114
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
[(2,5-dimethylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105292611
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62920362

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine (CID 115794851) is N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)c2ccccc2C)c1.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine?
The InChIKey is HNQHOLMNVLRIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-12-20-16-10-7-9-15(13-16)18(19-3)17-11-6-5-8-14(17)2/h5-11,13,18-19H,4,12H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine?
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 115794851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).